Gaurav Deshmukh
@ChemAndCode
I'm a postdoc in the Broadbelt group at @NorthwesternU. PhD from @GroupGreeley in @PurdueChemE. B. Chem. Engg. from @ICTMumbai1933. 🇮🇳
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Delighted to share a recent review, coauthored with @mepgg as part of my work in @GroupGreeley, on fundamentals and applications of deep learning models in computational heterogeneous catalysis published in the Journal of the Indian Institute of Science: link.springer.com/article/10.100…
Electrochemical CO2 Conversion toward Sustainable Methanol Production: Experimental Considerations and Outlook | Journal of the American Chemical Society @ChemistryMIT @MIT pubs.acs.org/doi/10.1021/ja…
Presenting a talk on the application of deep learning towards the study and design of high-entropy alloy catalysts at @NAM29NACS in the "Using AI to Navigate Large Catalyst Design Spaces" session on June 10 (Tuesday) at 3:00 PM. Happy to chat and connect with those attending NAM!
Congratulations to Prateek Bansal @thepdbguy for winning the ACS PRIDE Merck Graduate Research Award from American Chemical Society! @AmerChemSociety @ChBEIllinois @LASillinois chbe.illinois.edu/news/stories/b…
In this work, we go beyond Cu catalysts, and explore oxide-derived Co catalysts for producing long-chain hydrocarbons! The experiments from @catalysis_eth have been followed up with simulations at @TheorHetCatICIQ, pin-pointing the role of polarized sites at the interface.
🔥Out in Advanced Energy Materials. Cobalt catalyzes CO2 electroreduction to long-chain hydrocarbons, with the highest chain growth probability reported for any electrocatalyst!👇 onlinelibrary.wiley.com/doi/10.1002/ae… @NCCR_Catalysis @ETH_DCHAB @ChemNUS @ICIQchem Stronger together! ✊
Thanks to @GroupGreeley for their unwavering support over the years. It's been a fun ride!
We recently celebrated Gaurav's (@ChemAndCode ) successful PhD defense at the Greeley Group favorite Bru Burger. We wish him all the best as he embarks his postdoc journey @NorthwesternU!
Thrilled to be part of this work! We show that DFT-based electronic structure predictions of Pt nanoparticles with varying sizes align well with expt. VtC-XES measurements. We also elucidate the influence of factors such as coordination and strain on the electronic structure.
Congrats to David Dean and Gaurav Deshmukh (@ChemAndCode) for their recent article in @CatalysisSciTec on studying the size-dependence of the electronic structure of Pt nanoparticles using Valence-to-Core X-ray Emission Spectroscopy. pubs.rsc.org/en/content/art…
We recently bid farewell to @Kaustubh_Savant over a hearty group dinner. We wish him luck in all future endeavors! This also provided us with an opportunity to welcome and introduce new members, Brady, Masa, and Dhruv, to the group.
Congratulations to Hee-Joon and Ankita (@Ankita_Morankar) for their latest work in @JPhysChem on developing a theory for the solvation of aqueous-phase reaction intermediates based on structure sampling facilitated by ab-initio molecular dynamics (AIMD). pubs.acs.org/doi/full/10.10…
Prof. Greeley has been recognized for excellence in teaching by @PurdueChemE. Proud to have him as our advisor!
Congratulations to our 8 Chemical Engineering faculty members, recognized by @PurdueEngineers for their outstanding dedication to teaching students in the fall 2023 semester! engineering.purdue.edu/ChE/news/2024/…
Excited to share our latest work on the computational investigation of the potential-dependent structural evolution of active sites in Fe-N-C catalysts for electrochemical oxygen reduction in PNAS (@PNASNews) by Ankita (@Ankita_Morankar). pnas.org/doi/abs/10.107…
Thank you! Very grateful to @aiche_cre for the travel award. Congratulations to all the awardees!
It's that time of year, we're ready to kick off the annual AIChE Fall meeting @ChEnected, so help us start off on a high note and meet our 2023 CRE student travel awardees! docs.google.com/spreadsheets/d… Check out their talks (link above), drop by to see what they're up to all week!
Gaurav (@ChemAndCode) will present two talks. The first on active learning for discovery of multicomponent alloys (Mon 5:18pm in Florida Ballroom C) and the second on designing high-entropy alloy catalysts for oxygen reduction (Tue 3:50pm in Plaza International Ballroom E)
Congratulations to Kunal from @NikollaLab and Alex (@alex_vonGunten) for their latest supercharged publication on the influence of the mechanism of discharge product formation on the performance and stability of sodium-air batteries in @ACSEnergyLett. pubs.acs.org/doi/10.1021/ac…
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